China (Mainland)
Alanine, N-acetyl-3-chloro-, methyl ester CAS NO.40026-27-5
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Keywords
- Methyl N-acetyl-3-chloroalaninate
- Methyl 2-acetamido-3-chloropropanoate
- Methyl N-acetyl-3-chloroalaninate
Quick Details
- ProName: Alanine, N-acetyl-3-chloro-, methyl es...
- CasNo: 40026-27-5
- Molecular Formula: C6H10ClNO3
- Application: The Alanine, N-acetyl-3-chloro-, methy...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- LimitNum: 0 Metric Ton
Superiority
The Alanine, N-acetyl-3-chloro-, methyl ester, with the CAS registry number 40026-27-5, is also known as Methyl 2-acetamido-3-chloropropanoate. This chemical's molecular formula is C6H10ClNO3 and molecular weight is 179.6. What's more, its systematic name is methyl N-acetyl-3-chloroalaninate.
Physical properties of Alanine, N-acetyl-3-chloro-, methyl ester are: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 16.98; (6)ACD/KOC (pH 7.4): 16.98; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.451; (12)Molar Refractivity: 40.05 cm3; (13)Molar Volume: 148.7 cm3; (14)Polarizability: 15.87×10-24cm3; (15)Surface Tension: 36 dyne/cm; (16)Density: 1.207 g/cm3; (17)Flash Point: 137.4 °C; (18)Enthalpy of Vaporization: 54.39 kJ/mol; (19)Boiling Point: 303.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000924 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC(CCl)C(=O)OC
(2)InChI: InChI=1S/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)
(3)InChIKey: IGKDMFMKAAPDDN-UHFFFAOYSA-N